ChemSpider 2D Image | 7-Methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one | C8H12N4O5

7-Methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one

  • Molecular FormulaC8H12N4O5
  • Average mass244.205 Da
  • Monoisotopic mass244.080765 Da
  • ChemSpider ID29093919

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3,7-Diazabicyclo[3.3.1]nonan-2-one, 7-methyl-1,5-dinitro- [ACD/Index Name]
7-Methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-on [German] [ACD/IUPAC Name]
7-Methyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one [ACD/IUPAC Name]
7-Méthyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonan-2-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 498.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.1±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 54.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.49
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.90
Polar Surface Area: 124 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 68.6±5.0 dyne/cm
Molar Volume: 160.3±5.0 cm3

Click to predict properties on the Chemicalize site


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